SCHEMBL9570705

SCHEMBL9570705

COc1cccc(C(C=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AOC3 Q16853 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CASR P41180 3/20 0.39
ACHE P22303 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
NFE2L2 Q16236 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9570869 0.80 ALDH1A1 (0.44) L3MBTL1MEN1KMT2AALDH1A1ACHE
SCHEMBL22498336 0.78 CHRM2 (0.49) CHRM2CHRM1CHRM3L3MBTL1AOC3
SCHEMBL9570800 0.78 NPSR1 (0.40) L3MBTL1HTTAOC3ALDH1A1ACHE
SCHEMBL2558825 0.78 CHRM2 (0.51) CHRM2CHRM1CHRM3L3MBTL1POLB
SCHEMBL8330636 0.76 HDAC4 (0.42) AOC3CES2CES1NFE2L2
SCHEMBL20738700 0.76 TAAR1 (0.51) L3MBTL1POLBMEN1LMNAHTT
SCHEMBL8427963 0.76 CHRM2 (0.50) CHRM2CHRM1CHRM3L3MBTL1POLB
SCHEMBL9570854 0.75 TSHR (0.44) L3MBTL1POLBKMT2AALDH1A1ACHE
SCHEMBL8285034 0.75 AOC3 (0.47) L3MBTL1POLBMEN1LMNAHTT
SCHEMBL9570750 0.75 ACP3 (0.47) CES2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed